#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nji n LYS 2 N 0.00 0.26 -2.50 4.33 2.85 -1.26 -4.79 118.16 117.06 1nji n LYS 2 Ca 0.00 -0.02 -0.43 0.00 -1.05 0.00 0.00 58.31 56.81 1nji n LYS 2 Cb 0.00 -1.57 -0.02 0.00 -0.65 0.00 0.00 35.03 32.79 1nji n LYS 2 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1nji s GLN 3 N -3.19 4.27 0.28 -1.58 -0.21 -1.26 -4.94 119.66 113.03 1nji s GLN 3 Ca 0.04 1.58 -0.01 0.00 0.02 0.00 0.00 55.36 56.98 1nji s GLN 3 Cb 0.15 -3.69 0.63 0.00 1.00 0.00 0.00 33.01 31.09 1nji s GLN 3 CO 0.82 -0.63 1.63 -1.35 -2.12 0.00 0.00 175.29 173.64 1nji h PRO 4 N 7.85 0.13 -0.36 2.91 0.11 -1.99 -0.84 132.00 139.81 1nji h PRO 4 Ca -0.26 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.87 1nji h PRO 4 Cb 1.10 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 1nji h PRO 4 CO 0.95 0.08 0.17 -0.44 -0.21 0.00 0.00 178.00 178.56 1nji h ASP 5 N 0.13 0.25 -0.46 -2.05 5.19 -2.00 -1.49 116.42 115.99 1nji h ASP 5 Ca 0.52 0.02 -0.06 0.00 -0.62 0.00 0.00 57.03 56.88 1nji h ASP 5 Cb 1.01 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 40.48 1nji h ASP 5 CO -0.71 0.18 0.04 0.11 -3.12 0.00 0.00 179.24 175.74 1nji h LYS 6 N 0.36 0.79 -0.10 3.56 1.57 -1.59 -1.14 116.57 120.01 1nji h LYS 6 Ca 0.15 -0.23 0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1nji h LYS 6 Cb 0.07 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 1nji h LYS 6 CO -0.12 0.83 -0.14 1.96 -0.57 0.00 0.00 179.45 181.41 1nji h GLN 7 N 0.65 -0.18 -0.62 3.15 1.08 -1.00 -0.52 115.11 117.68 1nji h GLN 7 Ca 0.14 0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.28 1nji h GLN 7 Cb 0.44 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.89 1nji h GLN 7 CO 0.02 -0.12 0.13 0.00 -0.95 0.00 0.00 178.83 177.90 1nji h ARG 8 N -0.18 0.98 0.30 1.46 3.08 -1.23 -2.72 114.38 116.07 1nji h ARG 8 Ca 0.08 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 1nji h ARG 8 Cb 0.30 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1nji h ARG 8 CO -0.21 0.89 -0.15 -0.22 -1.07 0.00 0.00 179.97 179.21 1nji h LYS 9 N 0.93 -0.39 0.00 0.04 3.64 -0.67 -0.77 116.57 119.34 1nji h LYS 9 Ca 0.19 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 1nji h LYS 9 Cb 0.37 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1nji h LYS 9 CO 0.00 -0.25 -0.02 0.66 -2.27 0.00 0.00 179.45 177.57 1nji h SER 10 N -0.42 0.00 0.55 4.20 4.64 -1.03 0.31 113.55 121.80 1nji h SER 10 Ca -0.04 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.99 1nji h SER 10 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1nji h SER 10 CO 0.07 0.02 -1.36 1.56 -0.87 0.00 0.00 176.83 176.25 1nji h GLN 11 N 0.00 0.27 0.00 4.77 4.20 -1.13 -2.71 115.11 120.50 1nji h GLN 11 Ca -0.00 -0.46 0.00 0.00 0.06 0.00 0.00 58.65 58.25 1nji h GLN 11 Cb 0.10 0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1nji h GLN 11 CO 0.00 1.18 -0.17 0.00 -0.67 0.00 0.00 178.83 179.18 1nji h ARG 12 N 0.07 0.00 -0.11 1.46 3.08 -0.11 -3.32 114.38 115.46 1nji h ARG 12 Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.87 1nji h ARG 12 Cb 2.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.05 1nji h ARG 12 CO 0.19 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.63 1nji n ARG 13 N -2.56 1.48 -1.71 0.04 1.74 -0.00 -5.03 116.66 110.61 1nji n ARG 13 Ca 0.04 -1.36 -0.43 0.00 -0.77 0.00 0.00 57.85 55.33 1nji n ARG 13 Cb 0.48 -1.14 -0.02 0.00 -1.02 0.00 0.00 32.46 30.76 1nji n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nji n ALA 14 N 0.20 1.94 -1.06 7.54 0.00 -1.02 -4.94 120.51 123.17 1nji n ALA 14 Ca 0.05 0.39 -0.33 0.00 0.00 0.00 0.00 53.44 53.55 1nji n ALA 14 Cb 0.26 -2.38 0.13 0.00 0.00 0.00 0.00 19.45 17.45 1nji n ALA 14 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1nji s PRO 15 N -0.39 1.56 0.26 0.00 0.02 -1.26 -4.72 135.00 130.47 1nji s PRO 15 Ca 0.66 1.73 -0.11 0.00 0.02 0.00 0.00 61.00 63.31 1nji s PRO 15 Cb -0.56 -1.77 0.38 0.00 0.02 0.00 0.00 34.50 32.57 1nji s PRO 15 CO 0.48 -2.27 1.57 -0.07 -0.33 0.00 0.00 177.00 176.38 1nji h LEU 16 N -1.02 -0.99 -1.83 -5.54 3.38 -1.97 0.20 115.31 107.53 1nji h LEU 16 Ca -0.46 0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1nji h LEU 16 Cb 1.29 0.62 0.00 0.00 0.09 0.00 0.00 40.66 42.66 1nji h LEU 16 CO 0.46 -0.31 0.00 1.12 0.09 0.00 0.00 178.44 179.80 1nji h HIS 17 N -0.01 0.00 -0.01 1.13 2.07 -2.01 -0.69 115.15 115.64 1nji h HIS 17 Ca 0.43 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.95 1nji h HIS 17 Cb 0.67 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.65 1nji h HIS 17 CO -0.75 0.00 -0.15 0.39 -3.07 0.00 0.00 177.93 174.35 1nji n GLU 18 N -2.98 0.94 0.06 5.12 1.02 0.67 -3.70 120.64 121.78 1nji n GLU 18 Ca -0.00 -0.46 0.12 0.00 -0.02 0.00 0.00 57.16 56.79 1nji n GLU 18 Cb 0.22 -1.49 0.21 0.00 -0.02 0.00 0.00 31.44 30.36 1nji n GLU 18 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1nji n ARG 19 N -0.62 0.26 -0.34 3.49 1.74 -0.27 -3.72 116.66 117.20 1nji n ARG 19 Ca 0.15 0.09 0.06 0.00 -0.77 0.00 0.00 57.85 57.38 1nji n ARG 19 Cb 0.31 -1.68 0.22 0.00 -1.02 0.00 0.00 32.46 30.29 1nji n ARG 19 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1nji h HIS 20 N 0.00 1.06 0.00 -1.55 3.86 -1.67 0.59 115.15 117.44 1nji h HIS 20 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1nji h HIS 20 Cb 0.72 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.86 1nji h HIS 20 CO 0.00 0.42 0.00 0.36 0.86 0.00 0.00 177.93 179.57 1nji n LYS 21 N -4.66 0.04 0.00 2.45 2.85 -1.24 -1.53 118.16 116.08 1nji n LYS 21 Ca 0.17 0.41 0.13 0.00 -1.05 0.00 0.00 58.31 57.98 1nji n LYS 21 Cb 0.33 -1.61 0.42 0.00 -0.65 0.00 0.00 35.03 33.53 1nji n LYS 21 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1nji n GLN 22 N -1.70 1.19 -1.26 -1.58 6.02 0.21 -3.92 117.38 116.34 1nji n GLN 22 Ca 0.01 -0.71 -0.06 0.00 -0.01 0.00 0.00 57.00 56.24 1nji n GLN 22 Cb 0.10 -1.49 0.12 0.00 1.02 0.00 0.00 30.24 30.00 1nji n GLN 22 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1nji n VAL 23 N -0.28 2.19 -3.44 5.09 0.24 -0.58 -4.74 118.33 116.81 1nji n VAL 23 Ca 0.15 -3.49 -0.33 0.00 -2.04 0.00 0.00 64.34 58.63 1nji n VAL 23 Cb 0.36 -0.46 -0.05 0.00 -1.47 0.00 0.00 33.84 32.21 1nji n VAL 23 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1nji s ARG 24 N -3.23 3.83 0.06 7.34 0.52 -1.25 -1.87 118.95 124.35 1nji s ARG 24 Ca 0.42 0.29 0.03 0.00 -0.52 0.00 0.00 55.73 55.95 1nji s ARG 24 Cb 0.38 -2.77 -0.03 0.00 0.52 0.00 0.00 34.95 33.06 1nji s ARG 24 CO -0.03 0.39 -0.08 0.00 0.02 0.00 0.00 175.30 175.60 1nji s ALA 25 N -1.68 0.76 0.62 2.13 0.00 -0.20 -4.20 121.76 119.19 1nji s ALA 25 Ca 0.43 -0.95 -0.17 0.00 0.00 0.00 0.00 51.96 51.27 1nji s ALA 25 Cb -0.12 0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 1nji s ALA 25 CO 0.21 -0.05 1.15 -0.08 0.00 0.00 0.00 175.76 176.98 1nji s THR 26 N -1.93 2.99 0.02 0.00 -1.32 -1.24 -0.71 115.64 113.46 1nji s THR 26 Ca -0.03 0.54 -0.01 0.00 -1.21 0.00 0.00 61.69 60.97 1nji s THR 26 Cb -0.06 -3.12 -0.04 0.00 -1.51 0.00 0.00 72.50 67.76 1nji s THR 26 CO -0.00 -0.21 0.18 -0.76 -2.21 0.00 0.00 174.62 171.62 1nji s LEU 27 N -4.41 4.32 1.04 9.08 1.43 0.32 -1.56 118.68 128.90 1nji s LEU 27 Ca 0.72 0.30 -0.13 0.00 -1.03 0.00 0.00 54.13 53.98 1nji s LEU 27 Cb -0.24 -2.70 0.16 0.00 0.03 0.00 0.00 46.19 43.43 1nji s LEU 27 CO 0.36 0.23 0.72 -1.54 0.23 0.00 0.00 176.35 176.34 1nji n SER 28 N 0.73 -1.35 -0.09 2.29 3.41 -0.84 -4.62 113.62 113.14 1nji n SER 28 Ca -0.09 0.13 -0.06 0.00 -0.26 0.00 0.00 58.87 58.59 1nji n SER 28 Cb 0.52 -1.25 0.01 0.00 -0.26 0.00 0.00 64.21 63.23 1nji n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nji h ALA 29 N -2.09 0.35 -0.11 7.33 0.00 -1.98 -1.61 119.26 121.15 1nji h ALA 29 Ca -0.51 0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.51 1nji h ALA 29 Cb 1.31 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.14 1nji h ALA 29 CO 0.41 -0.34 -0.17 -0.44 0.00 0.00 0.00 179.25 178.71 1nji h ASP 30 N 0.18 -0.53 -0.30 0.00 3.32 -1.98 -2.08 116.42 115.03 1nji h ASP 30 Ca 0.16 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 1nji h ASP 30 Cb 0.18 0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 1nji h ASP 30 CO -0.21 -0.22 0.15 -0.07 -1.72 0.00 0.00 179.24 177.17 1nji h LEU 31 N -0.23 0.42 -0.48 1.55 3.38 -1.83 0.11 115.31 118.23 1nji h LEU 31 Ca 0.09 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1nji h LEU 31 Cb 0.35 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1nji h LEU 31 CO -0.24 0.37 0.09 0.03 0.09 0.00 0.00 178.44 178.78 1nji h ARG 32 N 0.48 0.79 -0.11 1.13 3.08 -0.85 -1.56 114.38 117.34 1nji h ARG 32 Ca 0.12 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1nji h ARG 32 Cb 0.07 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 1nji h ARG 32 CO -0.02 0.79 0.02 1.49 -1.07 0.00 0.00 179.97 181.19 1nji h GLU 33 N 0.67 0.17 -0.91 0.04 4.57 -0.71 0.24 114.58 118.65 1nji h GLU 33 Ca 0.15 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 1nji h GLU 33 Cb 0.37 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.90 1nji h GLU 33 CO 0.01 0.36 0.58 1.49 -1.18 0.00 0.00 179.01 180.26 1nji h GLU 34 N -0.05 1.21 -0.01 1.92 4.81 -0.66 -3.31 114.58 118.50 1nji h GLU 34 Ca 0.03 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1nji h GLU 34 Cb 0.27 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1nji h GLU 34 CO 0.00 0.83 0.00 0.66 -0.73 0.00 0.00 179.01 179.77 1nji n TYR 35 N -4.42 0.01 -3.44 0.92 4.02 -0.60 -5.04 117.16 108.61 1nji n TYR 35 Ca 0.10 -0.01 -0.19 0.00 -0.01 0.00 0.00 57.90 57.79 1nji n TYR 35 Cb 0.03 -0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.43 1nji n TYR 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1nji n GLY 36 N 0.37 -0.38 3.05 2.72 0.00 0.84 -4.80 105.19 106.97 1nji n GLY 36 Ca 0.04 0.13 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 1nji n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nji s GLN 37 N -5.71 0.37 0.01 1.61 -0.21 -1.21 -5.06 119.66 109.45 1nji s GLN 37 Ca 0.24 -0.37 0.06 0.00 0.02 0.00 0.00 55.36 55.31 1nji s GLN 37 Cb -0.11 0.15 -0.24 0.00 1.00 0.00 0.00 33.01 33.81 1nji s GLN 37 CO 0.69 -0.08 0.86 -0.09 -2.12 0.00 0.00 175.29 174.55 1nji h ARG 38 N 4.69 0.09 -4.60 2.91 2.43 -1.95 -3.38 114.38 114.56 1nji h ARG 38 Ca -0.30 -0.15 -0.39 0.00 -0.81 0.00 0.00 59.98 58.33 1nji h ARG 38 Cb 1.20 0.06 -0.11 0.00 -0.42 0.00 0.00 29.97 30.69 1nji h ARG 38 CO 0.41 0.84 -0.39 0.54 -1.51 0.00 0.00 179.97 179.87 1nji s ASN 39 N -6.56 1.34 0.10 -3.80 4.22 -1.26 -0.52 114.94 108.46 1nji s ASN 39 Ca -0.05 -1.65 -0.16 0.00 -2.14 0.00 0.00 52.86 48.86 1nji s ASN 39 Cb 0.08 0.59 0.03 0.00 1.28 0.00 0.00 41.25 43.23 1nji s ASN 39 CO 0.83 -1.14 0.40 0.54 -2.04 0.00 0.00 177.10 175.69 1nji s VAL 40 N -3.33 0.07 -0.45 3.54 0.11 0.12 -4.82 120.40 115.63 1nji s VAL 40 Ca 0.37 -0.55 -0.29 0.00 -2.93 0.00 0.00 61.98 58.58 1nji s VAL 40 Cb 0.02 -1.12 0.02 0.00 -1.53 0.00 0.00 36.38 33.77 1nji s VAL 40 CO 0.24 -0.30 1.25 -0.60 -3.33 0.00 0.00 175.10 172.36 1nji s ARG 41 N -3.47 3.67 0.01 1.54 3.52 -1.14 -1.04 118.95 122.04 1nji s ARG 41 Ca 0.01 0.74 -0.37 0.00 -0.13 0.00 0.00 55.73 55.98 1nji s ARG 41 Cb 0.01 -3.95 -0.16 0.00 -1.56 0.00 0.00 34.95 29.29 1nji s ARG 41 CO -0.10 -1.45 1.48 0.28 -0.81 0.00 0.00 175.30 174.71 1nji n VAL 42 N 6.91 0.09 -4.20 7.11 0.31 -0.78 -4.97 118.33 122.81 1nji n VAL 42 Ca 0.14 -0.02 -0.26 0.00 -0.01 0.00 0.00 64.34 64.19 1nji n VAL 42 Cb 0.48 -1.04 -0.08 0.00 -0.91 0.00 0.00 33.84 32.30 1nji n VAL 42 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1nji s ASN 43 N 1.37 4.82 0.00 4.52 0.01 -1.26 -4.98 114.94 119.42 1nji s ASN 43 Ca 0.87 -0.38 0.00 0.00 -0.71 0.00 0.00 52.86 52.64 1nji s ASN 43 Cb -0.94 -1.04 0.00 0.00 0.41 0.00 0.00 41.25 39.68 1nji s ASN 43 CO 0.50 0.08 0.29 0.00 -1.51 0.00 0.00 177.10 176.47 1nji n ALA 44 N -0.17 1.76 -0.02 0.60 0.00 -1.26 -1.55 120.51 119.88 1nji n ALA 44 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1nji n ALA 44 Cb 0.55 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.95 1nji n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nji n GLY 45 N -0.10 -0.30 3.70 0.00 0.00 -1.26 -4.52 105.19 102.71 1nji n GLY 45 Ca 0.00 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 1nji n GLY 45 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nji s ASP 46 N -3.23 3.40 -0.01 1.61 1.01 -0.59 -4.43 116.67 114.42 1nji s ASP 46 Ca -0.03 1.97 0.02 0.00 0.71 0.00 0.00 52.55 55.22 1nji s ASP 46 Cb 0.03 -2.50 -0.03 0.00 1.01 0.00 0.00 42.92 41.42 1nji s ASP 46 CO 0.26 -2.76 -0.03 -0.89 0.21 0.00 0.00 175.17 171.97 1nji s THR 47 N -2.75 3.96 0.07 -1.27 2.01 -0.21 -0.45 115.64 117.00 1nji s THR 47 Ca 0.65 -0.62 -0.04 0.00 0.31 0.00 0.00 61.69 61.99 1nji s THR 47 Cb -0.20 -2.73 -0.02 0.00 0.01 0.00 0.00 72.50 69.55 1nji s THR 47 CO 0.58 0.42 0.07 -0.69 -0.69 0.00 0.00 174.62 174.31 1nji s VAL 48 N -1.01 0.18 -0.09 3.82 1.01 0.80 -1.70 120.40 123.40 1nji s VAL 48 Ca 0.18 -1.57 0.04 0.00 0.00 0.00 0.00 61.98 60.62 1nji s VAL 48 Cb -0.11 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.76 1nji s VAL 48 CO 0.08 -0.80 -0.20 -1.83 0.00 0.00 0.00 175.10 172.34 1nji s GLU 49 N -3.91 2.60 -0.20 2.72 -1.05 0.17 -1.42 118.70 117.62 1nji s GLU 49 Ca 0.08 -0.74 -0.29 0.00 -0.15 0.00 0.00 54.97 53.87 1nji s GLU 49 Cb 0.07 -2.01 -0.01 0.00 -0.44 0.00 0.00 34.13 31.73 1nji s GLU 49 CO -0.09 0.15 1.30 0.08 0.95 0.00 0.00 175.26 177.65 1nji s VAL 50 N 0.40 4.20 -2.06 1.83 1.01 -0.33 -1.16 120.40 124.28 1nji s VAL 50 Ca -0.17 1.43 0.20 0.00 0.00 0.00 0.00 61.98 63.44 1nji s VAL 50 Cb -0.17 -4.00 0.06 0.00 0.00 0.00 0.00 36.38 32.27 1nji s VAL 50 CO 0.07 -0.22 1.04 0.18 0.00 0.00 0.00 175.10 176.17 1nji n LEU 51 N 6.94 2.18 0.00 3.92 4.77 0.25 0.86 117.00 135.92 1nji n LEU 51 Ca 0.14 -0.86 0.00 0.00 -0.03 0.00 0.00 56.01 55.26 1nji n LEU 51 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1nji n LEU 51 CO 0.58 0.39 0.00 0.54 -1.33 0.00 0.00 177.39 177.57 1nji n ARG 52 N 0.43 0.00 0.00 3.23 5.12 -1.21 -4.86 116.66 119.36 1nji n ARG 52 Ca 0.09 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.01 1nji n ARG 52 Cb 0.44 -0.48 0.00 0.00 -1.16 0.00 0.00 32.46 31.26 1nji n ARG 52 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1nji n GLY 53 N 1.06 -3.24 0.19 -0.13 0.00 -1.26 -4.62 105.19 97.18 1nji n GLY 53 Ca 0.00 -1.09 0.12 0.00 0.00 0.00 0.00 46.02 45.05 1nji n GLY 53 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1nji h ASP 54 N 0.00 0.00 -0.60 1.61 3.45 -2.00 -2.95 116.42 115.94 1nji h ASP 54 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1nji h ASP 54 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1nji h ASP 54 CO 0.00 0.00 0.00 0.49 -1.57 0.00 0.00 179.24 178.16 1nji n PHE 55 N -2.84 0.80 -1.63 4.55 3.01 -1.26 -4.97 117.46 115.12 1nji n PHE 55 Ca 0.04 -0.40 -0.45 0.00 1.01 0.00 0.00 57.45 57.66 1nji n PHE 55 Cb 0.49 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.94 1nji n PHE 55 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1nji n ALA 56 N 1.26 0.39 0.00 4.37 0.00 -1.12 -1.53 120.51 123.89 1nji n ALA 56 Ca 0.20 0.40 0.00 0.00 0.00 0.00 0.00 53.44 54.04 1nji n ALA 56 Cb 0.51 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.82 1nji n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nji n GLY 57 N 1.40 2.90 3.78 0.00 0.00 0.25 -4.97 105.19 108.55 1nji n GLY 57 Ca 0.09 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.21 1nji n GLY 57 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nji s GLU 58 N 0.00 2.92 0.18 1.61 2.02 -0.58 -4.76 118.70 120.09 1nji s GLU 58 Ca 0.00 1.37 0.07 0.00 0.02 0.00 0.00 54.97 56.43 1nji s GLU 58 Cb 0.00 -1.97 -0.04 0.00 0.10 0.00 0.00 34.13 32.22 1nji s GLU 58 CO 0.00 -1.15 -0.15 -1.21 0.02 0.00 0.00 175.26 172.77 1nji s GLU 59 N -4.05 1.25 0.00 1.61 2.02 -1.26 -1.19 118.70 117.07 1nji s GLU 59 Ca 0.67 -1.48 0.00 0.00 0.02 0.00 0.00 54.97 54.18 1nji s GLU 59 Cb -0.20 -1.11 0.00 0.00 0.10 0.00 0.00 34.13 32.92 1nji s GLU 59 CO 0.40 0.20 0.00 0.41 0.02 0.00 0.00 175.26 176.29 1nji n GLY 60 N -0.04 0.15 3.82 -1.39 0.00 -0.51 -4.97 105.19 102.24 1nji n GLY 60 Ca -0.11 -0.85 -0.38 0.00 0.00 0.00 0.00 46.02 44.69 1nji n GLY 60 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nji s GLU 61 N -2.00 4.18 -0.25 1.61 2.12 -1.26 -0.14 118.70 122.95 1nji s GLU 61 Ca 0.00 0.72 -0.29 0.00 0.36 0.00 0.00 54.97 55.76 1nji s GLU 61 Cb 0.00 -3.15 -0.01 0.00 0.26 0.00 0.00 34.13 31.23 1nji s GLU 61 CO 0.00 0.58 1.43 0.08 -0.54 0.00 0.00 175.26 176.81 1nji s VAL 62 N -1.22 3.96 -0.13 3.70 1.01 0.41 -0.44 120.40 127.70 1nji s VAL 62 Ca 0.32 1.09 0.17 0.00 0.00 0.00 0.00 61.98 63.56 1nji s VAL 62 Cb -0.19 -3.95 -0.12 0.00 0.00 0.00 0.00 36.38 32.12 1nji s VAL 62 CO 0.20 -0.37 0.88 0.40 0.00 0.00 0.00 175.10 176.20 1nji h ILE 63 N 5.99 0.51 -2.00 2.22 1.08 0.10 -3.35 117.51 122.06 1nji h ILE 63 Ca -0.29 -1.98 -0.05 0.00 -0.39 0.00 0.00 64.86 62.15 1nji h ILE 63 Cb 1.12 2.04 -0.20 0.00 -3.07 0.00 0.00 36.82 36.71 1nji h ILE 63 CO 1.01 0.29 0.15 0.21 -0.69 0.00 0.00 178.15 179.13 1nji s ASN 64 N -5.82 -0.71 -0.25 1.72 2.47 -1.10 -4.95 114.94 106.30 1nji s ASN 64 Ca -0.02 1.15 -0.00 0.00 0.42 0.00 0.00 52.86 54.41 1nji s ASN 64 Cb 0.09 1.09 0.07 0.00 -1.45 0.00 0.00 41.25 41.05 1nji s ASN 64 CO 0.81 -0.40 -0.00 -0.69 -3.72 0.00 0.00 177.10 173.10 1nji s VAL 65 N -0.26 1.25 -0.40 -5.21 1.01 -1.26 -0.45 120.40 115.09 1nji s VAL 65 Ca -0.04 -1.19 -0.17 0.00 0.00 0.00 0.00 61.98 60.57 1nji s VAL 65 Cb -0.03 -1.67 0.01 0.00 0.00 0.00 0.00 36.38 34.69 1nji s VAL 65 CO 0.05 -0.26 0.44 -0.62 0.00 0.00 0.00 175.10 174.70 1nji s ASP 66 N 1.50 6.21 0.22 3.32 -1.08 0.49 -4.95 116.67 122.38 1nji s ASP 66 Ca -0.01 -0.49 -0.05 0.00 -0.52 0.00 0.00 52.55 51.49 1nji s ASP 66 Cb -0.18 -2.23 0.20 0.00 -1.46 0.00 0.00 42.92 39.25 1nji s ASP 66 CO -0.10 -0.52 1.66 -0.07 0.52 0.00 0.00 175.17 176.65 1nji h LEU 67 N 9.02 0.82 0.26 -1.34 3.38 -1.95 0.20 115.31 125.71 1nji h LEU 67 Ca -0.27 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.42 1nji h LEU 67 Cb 1.12 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1nji h LEU 67 CO 0.77 0.97 -0.13 -0.78 0.09 0.00 0.00 178.44 179.37 1nji h ASP 68 N 0.74 -0.30 -0.03 -0.43 1.82 -1.96 -2.89 116.42 113.38 1nji h ASP 68 Ca 0.12 -0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 1nji h ASP 68 Cb 0.65 0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.74 1nji h ASP 68 CO 0.05 -0.09 0.00 0.29 -1.61 0.00 0.00 179.24 177.87 1nji n LYS 69 N -5.18 1.45 -3.88 0.28 5.02 -1.22 -4.94 118.16 109.69 1nji n LYS 69 Ca -0.10 -0.66 -0.35 0.00 -2.02 0.00 0.00 58.31 55.18 1nji n LYS 69 Cb 0.21 -1.47 0.02 0.00 -0.02 0.00 0.00 35.03 33.77 1nji n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nji n ALA 70 N -0.18 -2.45 -2.33 7.82 0.00 0.59 -4.97 120.51 118.99 1nji n ALA 70 Ca 0.20 -0.36 -0.08 0.00 0.00 0.00 0.00 53.44 53.20 1nji n ALA 70 Cb 0.27 -3.07 -0.09 0.00 0.00 0.00 0.00 19.45 16.55 1nji n ALA 70 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1nji s VAL 71 N -3.62 0.18 0.07 0.00 1.01 -0.49 -4.62 120.40 112.93 1nji s VAL 71 Ca 0.38 -1.51 0.04 0.00 0.00 0.00 0.00 61.98 60.89 1nji s VAL 71 Cb -0.16 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 1nji s VAL 71 CO 0.91 -0.83 -0.12 0.27 0.00 0.00 0.00 175.10 175.32 1nji s ILE 72 N -3.71 0.98 -0.22 2.22 -4.36 -0.79 -0.37 121.20 114.94 1nji s ILE 72 Ca 0.05 -1.29 -0.08 0.00 -0.26 0.00 0.00 60.65 59.06 1nji s ILE 72 Cb 0.06 -1.00 -0.04 0.00 1.25 0.00 0.00 42.46 42.73 1nji s ILE 72 CO -0.10 -0.29 0.08 -1.00 0.24 0.00 0.00 174.94 173.88 1nji s HIS 73 N -1.41 3.17 -0.12 1.37 3.76 0.40 -1.60 115.29 120.87 1nji s HIS 73 Ca -0.03 -0.12 -0.01 0.00 -0.15 0.00 0.00 55.06 54.76 1nji s HIS 73 Cb -0.09 -2.19 -0.02 0.00 1.11 0.00 0.00 32.58 31.39 1nji s HIS 73 CO 0.02 -0.10 -0.10 0.08 -0.85 0.00 0.00 174.74 173.79 1nji s VAL 74 N 1.07 3.39 0.18 -0.90 1.01 -1.26 0.75 120.40 124.65 1nji s VAL 74 Ca 0.05 -0.55 -0.33 0.00 0.00 0.00 0.00 61.98 61.15 1nji s VAL 74 Cb -0.14 -2.43 -0.15 0.00 0.00 0.00 0.00 36.38 33.66 1nji s VAL 74 CO 0.03 0.53 1.31 1.21 0.00 0.00 0.00 175.10 178.18 1nji n GLU 75 N 3.22 1.55 -0.80 2.72 2.13 0.42 -1.24 120.64 128.63 1nji n GLU 75 Ca -0.18 0.55 0.00 0.00 0.66 0.00 0.00 57.16 58.19 1nji n GLU 75 Cb 0.53 -2.15 0.00 0.00 0.27 0.00 0.00 31.44 30.09 1nji n GLU 75 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1nji n ASP 76 N 2.26 0.00 -4.41 4.31 8.00 -1.26 -4.62 116.55 120.83 1nji n ASP 76 Ca 0.14 0.00 -0.45 0.00 0.71 0.00 0.00 54.79 55.20 1nji n ASP 76 Cb 0.27 -0.65 -0.00 0.00 -0.02 0.00 0.00 41.12 40.71 1nji n ASP 76 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1nji s VAL 77 N -3.14 5.44 0.41 2.53 1.01 -0.38 -4.98 120.40 121.29 1nji s VAL 77 Ca 0.00 -2.88 0.03 0.00 0.00 0.00 0.00 61.98 59.13 1nji s VAL 77 Cb 0.00 -4.76 -0.04 0.00 0.00 0.00 0.00 36.38 31.59 1nji s VAL 77 CO 0.00 -1.41 0.08 0.42 0.00 0.00 0.00 175.10 174.19 1nji s THR 78 N 0.43 0.94 0.07 3.92 -4.23 -1.26 -1.01 115.64 114.50 1nji s THR 78 Ca 0.36 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.96 1nji s THR 78 Cb -0.06 -2.46 -0.03 0.00 1.34 0.00 0.00 72.50 71.28 1nji s THR 78 CO -0.04 0.00 -0.23 -0.76 -0.54 0.00 0.00 174.62 173.05 1nji s LEU 79 N -3.63 2.23 -0.39 4.79 1.43 0.41 -4.74 118.68 118.78 1nji s LEU 79 Ca 0.24 -0.62 -0.22 0.00 -1.03 0.00 0.00 54.13 52.50 1nji s LEU 79 Cb 0.04 -1.05 0.01 0.00 0.03 0.00 0.00 46.19 45.22 1nji s LEU 79 CO 0.13 0.16 0.74 -0.70 0.23 0.00 0.00 176.35 176.91 1nji s GLU 80 N -1.53 3.63 0.94 1.70 2.56 -1.26 -1.25 118.70 123.49 1nji s GLU 80 Ca 0.09 0.12 -0.14 0.00 0.00 0.00 0.00 54.97 55.04 1nji s GLU 80 Cb -0.10 -3.85 0.16 0.00 2.00 0.00 0.00 34.13 32.35 1nji s GLU 80 CO 0.03 -0.89 1.20 0.15 -0.56 0.00 0.00 175.26 175.18 1nji s LYS 81 N 3.04 0.90 0.11 4.30 1.02 0.67 -4.93 119.74 124.85 1nji s LYS 81 Ca 0.29 0.01 -0.16 0.00 0.02 0.00 0.00 55.97 56.13 1nji s LYS 81 Cb -0.13 -1.84 -0.04 0.00 -0.52 0.00 0.00 37.83 35.30 1nji s LYS 81 CO 0.18 -2.31 1.57 1.15 -0.92 0.00 0.00 175.35 175.02 1nji h THR 82 N -1.57 1.25 0.00 2.17 2.02 -1.97 -2.23 112.91 112.58 1nji h THR 82 Ca -0.47 -0.92 0.00 0.00 0.77 0.00 0.00 66.41 65.79 1nji h THR 82 Cb 1.30 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 68.87 1nji h THR 82 CO 0.53 0.31 0.00 -0.90 0.37 0.00 0.00 175.52 175.82 1nji n ASP 83 N -4.53 0.00 0.00 4.18 5.68 -1.26 -4.83 116.55 115.79 1nji n ASP 83 Ca -0.02 -0.27 0.00 0.00 -0.50 0.00 0.00 54.79 54.00 1nji n ASP 83 Cb 0.25 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.12 1nji n ASP 83 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1nji n GLY 84 N -0.00 3.22 3.66 6.12 0.00 -0.84 -5.06 105.19 112.29 1nji n GLY 84 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 1nji n GLY 84 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1nji n GLU 85 N -1.79 0.37 -3.98 1.61 2.13 -1.26 -4.56 120.64 113.16 1nji n GLU 85 Ca 0.00 0.19 -0.34 0.00 0.66 0.00 0.00 57.16 57.67 1nji n GLU 85 Cb 0.00 -2.35 -0.15 0.00 0.27 0.00 0.00 31.44 29.21 1nji n GLU 85 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1nji s GLU 86 N -3.74 3.01 0.14 5.31 2.12 -1.26 -0.24 118.70 124.04 1nji s GLU 86 Ca 0.74 -0.85 0.10 0.00 0.36 0.00 0.00 54.97 55.31 1nji s GLU 86 Cb -0.32 -2.91 -0.04 0.00 0.26 0.00 0.00 34.13 31.12 1nji s GLU 86 CO 0.50 -0.31 -0.19 0.14 -0.54 0.00 0.00 175.26 174.86 1nji s VAL 87 N 1.36 2.73 0.42 3.70 -7.23 -0.38 -4.90 120.40 116.09 1nji s VAL 87 Ca 0.03 -1.66 -0.25 0.00 -1.81 0.00 0.00 61.98 58.29 1nji s VAL 87 Cb -0.15 -2.27 -0.08 0.00 0.56 0.00 0.00 36.38 34.43 1nji s VAL 87 CO -0.06 0.03 1.27 -2.16 -0.31 0.00 0.00 175.10 173.87 1nji s PRO 88 N -2.33 3.91 -0.46 4.82 0.04 -1.26 0.16 135.00 139.88 1nji s PRO 88 Ca 0.19 2.06 -0.13 0.00 0.04 0.00 0.00 61.00 63.16 1nji s PRO 88 Cb -0.10 -2.68 0.08 0.00 0.04 0.00 0.00 34.50 31.84 1nji s PRO 88 CO 0.10 -0.51 0.36 0.50 0.04 0.00 0.00 177.00 177.49 1nji s ARG 89 N -2.33 2.86 0.24 4.56 6.06 -0.18 -4.69 118.95 125.46 1nji s ARG 89 Ca 0.58 -1.41 -0.29 0.00 -2.50 0.00 0.00 55.73 52.11 1nji s ARG 89 Cb -0.36 -4.03 -0.15 0.00 0.06 0.00 0.00 34.95 30.47 1nji s ARG 89 CO 0.45 -1.03 0.96 -2.30 -2.50 0.00 0.00 175.30 170.88 1nji n PRO 90 N 5.11 1.02 -4.33 5.12 -0.02 -1.26 -4.76 135.00 135.87 1nji n PRO 90 Ca -0.12 0.36 -0.25 0.00 -2.02 0.00 0.00 63.50 61.47 1nji n PRO 90 Cb 0.43 -1.69 -0.13 0.00 -0.02 0.00 0.00 33.50 32.09 1nji n PRO 90 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1nji s LEU 91 N 0.98 2.30 -0.08 2.45 1.43 -0.63 -4.93 118.68 120.20 1nji s LEU 91 Ca 0.64 -0.70 -0.20 0.00 -1.03 0.00 0.00 54.13 52.84 1nji s LEU 91 Cb -0.80 -0.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 1nji s LEU 91 CO 0.57 0.10 0.57 -0.62 0.23 0.00 0.00 176.35 177.20 1nji s ASP 92 N -1.92 6.83 0.64 2.29 -1.08 -1.26 -1.89 116.67 120.29 1nji s ASP 92 Ca 0.09 0.99 0.33 0.00 -0.52 0.00 0.00 52.55 53.44 1nji s ASP 92 Cb -0.10 -2.34 1.78 0.00 -1.46 0.00 0.00 42.92 40.80 1nji s ASP 92 CO 0.05 -0.03 2.05 0.71 0.52 0.00 0.00 175.17 178.47 1nji h THR 93 N 4.66 0.14 0.00 1.71 1.35 -1.84 -0.96 112.91 117.97 1nji h THR 93 Ca -0.42 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.43 1nji h THR 93 Cb 1.19 0.77 -0.00 0.00 -1.73 0.00 0.00 68.15 68.37 1nji h THR 93 CO 0.75 0.00 -0.07 -1.28 -0.25 0.00 0.00 175.52 174.67 1nji h SER 94 N 0.00 0.00 -0.61 5.36 0.87 -1.91 -1.82 113.55 115.44 1nji h SER 94 Ca 0.04 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1nji h SER 94 Cb 0.55 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1nji h SER 94 CO -0.00 0.07 0.00 0.59 -0.53 0.00 0.00 176.83 176.96 1nji n ASN 95 N -3.44 5.46 -4.26 6.23 3.02 -0.36 -4.96 115.26 116.95 1nji n ASN 95 Ca -0.02 -2.77 -0.18 0.00 -0.03 0.00 0.00 54.58 51.59 1nji n ASN 95 Cb 0.21 -0.65 -0.11 0.00 -0.61 0.00 0.00 39.78 38.62 1nji n ASN 95 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1nji s VAL 96 N -2.46 1.39 -0.05 2.41 1.01 -0.68 -0.58 120.40 121.44 1nji s VAL 96 Ca 0.54 -1.81 0.01 0.00 0.00 0.00 0.00 61.98 60.72 1nji s VAL 96 Cb 0.39 -1.64 0.02 0.00 0.00 0.00 0.00 36.38 35.16 1nji s VAL 96 CO 0.19 -0.46 -0.05 -0.60 0.00 0.00 0.00 175.10 174.18 1nji s ARG 97 N -2.88 0.92 -0.22 2.72 3.52 -0.31 -3.61 118.95 119.10 1nji s ARG 97 Ca 0.11 -0.14 -0.28 0.00 -0.13 0.00 0.00 55.73 55.30 1nji s ARG 97 Cb -0.04 -0.91 0.00 0.00 -1.56 0.00 0.00 34.95 32.45 1nji s ARG 97 CO 0.03 -0.08 0.99 0.08 -0.81 0.00 0.00 175.30 175.52 1nji s VAL 98 N 0.92 4.73 -0.27 7.11 1.01 -0.60 0.45 120.40 133.75 1nji s VAL 98 Ca -0.11 1.94 0.13 0.00 0.00 0.00 0.00 61.98 63.94 1nji s VAL 98 Cb -0.14 -4.27 -0.18 0.00 0.00 0.00 0.00 36.38 31.78 1nji s VAL 98 CO 0.00 -0.13 0.40 0.35 0.00 0.00 0.00 175.10 175.73 1nji n THR 99 N 5.19 0.00 -3.78 3.92 -2.24 -0.69 -1.98 114.28 114.71 1nji n THR 99 Ca 0.10 -0.26 -0.13 0.00 -2.27 0.00 0.00 64.05 61.49 1nji n THR 99 Cb 0.47 0.53 -0.11 0.00 -2.10 0.00 0.00 70.33 69.11 1nji n THR 99 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1nji s ASP 100 N -3.00 -0.30 0.01 3.42 -1.08 -1.14 -4.96 116.67 109.62 1nji s ASP 100 Ca -0.01 0.57 0.04 0.00 -0.52 0.00 0.00 52.55 52.63 1nji s ASP 100 Cb 0.09 0.58 -0.03 0.00 -1.46 0.00 0.00 42.92 42.10 1nji s ASP 100 CO 0.55 -0.10 -0.08 -0.76 0.52 0.00 0.00 175.17 175.30 1nji s LEU 101 N 0.15 3.12 -0.45 -1.34 1.43 -1.26 -1.05 118.68 119.29 1nji s LEU 101 Ca -0.00 -0.17 -0.17 0.00 -1.03 0.00 0.00 54.13 52.76 1nji s LEU 101 Cb -0.02 -1.79 0.04 0.00 0.03 0.00 0.00 46.19 44.45 1nji s LEU 101 CO 0.00 0.28 0.47 -0.62 0.23 0.00 0.00 176.35 176.71 1nji s ASP 102 N -1.41 6.19 -0.39 2.29 -1.08 -1.26 -4.88 116.67 116.13 1nji s ASP 102 Ca 0.17 -0.84 0.05 0.00 -0.52 0.00 0.00 52.55 51.41 1nji s ASP 102 Cb -0.11 -2.23 0.52 0.00 -1.46 0.00 0.00 42.92 39.64 1nji s ASP 102 CO 0.07 -0.65 1.61 0.18 0.52 0.00 0.00 175.17 176.89 1nji n LEU 103 N 5.64 5.41 0.01 -1.34 4.77 -1.26 -4.68 117.00 125.55 1nji n LEU 103 Ca -0.08 -4.03 0.05 0.00 -0.03 0.00 0.00 56.01 51.92 1nji n LEU 103 Cb 0.46 -0.69 0.22 0.00 -2.33 0.00 0.00 43.42 41.09 1nji n LEU 103 CO 0.48 1.43 0.66 -0.62 -1.33 0.00 0.00 177.39 178.00 1nji n GLU 104 N -1.02 0.02 -3.66 3.23 1.02 -1.26 -4.57 120.64 114.40 1nji n GLU 104 Ca 0.45 0.36 -0.36 0.00 -0.02 0.00 0.00 57.16 57.59 1nji n GLU 104 Cb 1.06 -1.54 -0.09 0.00 -0.02 0.00 0.00 31.44 30.85 1nji n GLU 104 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1nji s ASP 105 N -3.11 6.15 0.16 1.62 -1.08 -1.26 -4.96 116.67 114.19 1nji s ASP 105 Ca 0.04 0.15 -0.16 0.00 -0.52 0.00 0.00 52.55 52.06 1nji s ASP 105 Cb 0.06 -2.11 0.04 0.00 -1.46 0.00 0.00 42.92 39.45 1nji s ASP 105 CO 0.18 0.07 1.80 -0.33 0.52 0.00 0.00 175.17 177.41 1nji h GLU 106 N 7.39 0.47 -0.11 4.34 5.08 -2.00 -2.04 114.58 127.72 1nji h GLU 106 Ca -0.38 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 57.97 1nji h GLU 106 Cb 1.17 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 1nji h GLU 106 CO 0.67 0.31 -0.01 0.87 -1.00 0.00 0.00 179.01 179.86 1nji h LYS 107 N 0.49 0.02 0.19 2.33 1.57 -1.95 0.28 116.57 119.51 1nji h LYS 107 Ca 0.16 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 1nji h LYS 107 Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1nji h LYS 107 CO -0.07 0.02 -0.09 -0.09 -0.57 0.00 0.00 179.45 178.64 1nji h ARG 108 N 0.03 -0.25 -0.81 3.15 2.43 -1.91 -0.97 114.38 116.05 1nji h ARG 108 Ca 0.05 0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.33 1nji h ARG 108 Cb 0.06 0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.60 1nji h ARG 108 CO -0.09 -0.09 0.45 1.49 -1.51 0.00 0.00 179.97 180.22 1nji h GLU 109 N -0.36 0.73 0.20 0.20 4.81 -1.23 -0.43 114.58 118.51 1nji h GLU 109 Ca -0.03 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1nji h GLU 109 Cb 0.27 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 1nji h GLU 109 CO 0.04 0.49 -0.31 0.00 -0.73 0.00 0.00 179.01 178.50 1nji h ALA 110 N 1.46 -0.59 -0.66 2.92 0.00 -0.09 -1.24 119.26 121.06 1nji h ALA 110 Ca 0.39 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.33 1nji h ALA 110 Cb 0.38 0.49 -0.07 0.00 0.00 0.00 0.00 17.79 18.58 1nji h ALA 110 CO -0.25 -0.88 0.28 0.00 0.00 0.00 0.00 179.25 178.40 1nji h ARG 111 N -0.58 0.47 -0.02 0.00 3.08 -0.52 -0.64 114.38 116.16 1nji h ARG 111 Ca 0.01 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.06 1nji h ARG 111 Cb 0.58 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 1nji h ARG 111 CO -0.13 0.31 -0.14 -0.07 -1.07 0.00 0.00 179.97 178.86 1nji h LEU 112 N 0.48 -0.42 -0.16 3.04 3.38 -0.61 -3.22 115.31 117.81 1nji h LEU 112 Ca 0.33 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.33 1nji h LEU 112 Cb 0.40 0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 1nji h LEU 112 CO -0.30 -0.20 -0.04 -0.33 0.09 0.00 0.00 178.44 177.66 1nji h GLU 113 N -0.23 0.30 -6.54 1.13 5.08 -0.73 -3.45 114.58 110.14 1nji h GLU 113 Ca 0.06 -0.12 -0.56 0.00 -1.00 0.00 0.00 59.36 57.74 1nji h GLU 113 Cb 0.30 -0.02 0.19 0.00 0.50 0.00 0.00 28.75 29.73 1nji h GLU 113 CO -0.16 0.58 -0.63 -1.13 -1.00 0.00 0.00 179.01 176.67 1nji n SER 114 N -4.68 -2.01 -0.83 1.42 3.41 -0.29 -4.90 113.62 105.74 1nji n SER 114 Ca -0.05 0.53 0.09 0.00 -0.26 0.00 0.00 58.87 59.18 1nji n SER 114 Cb 0.26 -1.13 0.12 0.00 -0.26 0.00 0.00 64.21 63.20 1nji n SER 114 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1nji n GLU 115 N -0.30 1.89 -0.05 4.33 0.28 -1.26 -4.30 120.64 121.24 1nji n GLU 115 Ca 0.08 -1.82 0.05 0.00 -0.16 0.00 0.00 57.16 55.32 1nji n GLU 115 Cb 0.51 -1.38 0.07 0.00 1.43 0.00 0.00 31.44 32.07 1nji n GLU 115 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1nji n ASP 116 N 1.09 2.16 -3.82 -1.84 8.00 -1.26 -5.00 116.55 115.88 1nji n ASP 116 Ca 0.13 -1.60 -0.12 0.00 0.71 0.00 0.00 54.79 53.92 1nji n ASP 116 Cb 0.49 -0.06 -0.09 0.00 -0.02 0.00 0.00 41.12 41.43 1nji n ASP 116 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1nji s ASP 117 N -0.91 -0.06 0.05 -2.24 -1.08 -1.26 -5.17 116.67 105.99 1nji s ASP 117 Ca 0.15 -0.10 0.09 0.00 -0.52 0.00 0.00 52.55 52.17 1nji s ASP 117 Cb 0.10 0.26 -0.03 0.00 -1.46 0.00 0.00 42.92 41.78 1nji s ASP 117 CO 0.14 -0.42 -0.26 -0.94 0.52 0.00 0.00 175.17 174.20 1nji s SER 118 N -1.44 3.11 0.00 -0.34 1.04 -1.26 -4.67 113.70 110.14 1nji s SER 118 Ca -0.13 -0.59 0.08 0.00 0.48 0.00 0.00 55.95 55.79 1nji s SER 118 Cb -0.06 -0.28 0.06 0.00 0.10 0.00 0.00 66.02 65.85 1nji s SER 118 CO 0.02 0.25 0.76 0.00 0.98 0.00 0.00 173.24 175.24